4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride

C15H23ClN2O3 — CID 2995300

IUPAC4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(OCCN2CCC(C)CC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-12-5-7-16(8-6-12)9-10-20-15-11-13(2)3-4-14(15)17(18)19;/h3-4,11-12H,5-10H2,1-2H3;1H
InChIKeyAXNZVIWQMGHZNI-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.44
Rot. Bonds5

About 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride

4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride (PubChem CID 2995300) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
PubChem CID2995300
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(OCCN2CCC(C)CC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-12-5-7-16(8-6-12)9-10-20-15-11-13(2)3-4-14(15)17(18)19;/h3-4,11-12H,5-10H2,1-2H3;1H
InChIKeyAXNZVIWQMGHZNI-UHFFFAOYSA-N
XLogP3.44
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 893227
1-benzyl-4-[2-[2-(5-methyl-2-nitrophenoxy)ethoxy]ethyl]piperazine
CID 2976731
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[2-(5-chloro-2-nitrophenoxy)ethyl]-4-methylpiperazine
CID 82891988
4-methyl-2-(3-methylbutoxy)-1-nitrobenzene
CID 66999028
3-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethoxy]-4-nitroaniline;methyl sulfate
CID 118107831
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885314
1-[3-(3-methoxy-4-nitrophenoxy)propyl]-3-methylpyrrolidine
CID 146453469
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
1-[2-(5-methyl-2-nitrophenoxy)ethyl]azepan-1-ium
CID 7442936
1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576682

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride (CID 2995300) is 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride is Cc1ccc([N+](=O)[O-])c(OCCN2CCC(C)CC2)c1.Cl.
What is the InChIKey of 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is AXNZVIWQMGHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-12-5-7-16(8-6-12)9-10-20-15-11-13(2)3-4-14(15)17(18)19;/h3-4,11-12H,5-10H2,1-2H3;1H.
What are the key properties of 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride?
4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 2995300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).